ergo
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Code for conversion between integrals computed for Hermite Gaussians and Cartesian Gaussians, using a symbolic conversion matrix. More...
Classes | |
struct | poly_1d_term_struct_symb |
struct | poly_1d_struct_symb |
struct | poly_3d_term_struct_symb |
struct | poly_3d_struct_symb |
Macros | |
#define | MAX_NO_OF_1D_TERMS 888 |
#define | MAX_NO_OF_3D_TERMS 888 |
Functions | |
static int | get_1d_hermite_poly_symb (poly_1d_struct_symb *result, int n) |
static int | get_1d_hermite_poly_inv_symb (poly_1d_struct_symb *result, int n) |
static int | create_3d_poly_from_1d_poly_symb (poly_3d_struct_symb *poly_3d, poly_1d_struct_symb *poly_1d, int coordIndex) |
static int | compute_product_of_3d_polys_symb (poly_3d_struct_symb *result, poly_3d_struct_symb *poly_1, poly_3d_struct_symb *poly_2) |
int | get_hermite_conversion_matrix_symb (const monomial_info_struct *monomial_info, int nmax, int inverseFlag, symb_matrix_element *result) |
Code for conversion between integrals computed for Hermite Gaussians and Cartesian Gaussians, using a symbolic conversion matrix.
#define MAX_NO_OF_1D_TERMS 888 |
#define MAX_NO_OF_3D_TERMS 888 |
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References poly_1d_term_struct_symb::coeff, poly_3d_term_struct_symb::coeff, poly_1d_term_struct_symb::ia, poly_3d_term_struct_symb::ia, poly_1d_term_struct_symb::ix, poly_3d_term_struct_symb::monomialInts, poly_1d_struct_symb::noOfTerms, poly_3d_struct_symb::noOfTerms, poly_1d_struct_symb::termList, and poly_3d_struct_symb::termList.
Referenced by get_hermite_conversion_matrix_symb().
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int get_hermite_conversion_matrix_symb | ( | const monomial_info_struct * | monomial_info, |
int | nmax, | ||
int | inverseFlag, | ||
symb_matrix_element * | result | ||
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References poly_3d_term_struct_symb::coeff, symb_matrix_element::coeff, compute_product_of_3d_polys_symb(), create_3d_poly_from_1d_poly_symb(), get_1d_hermite_poly_inv_symb(), get_1d_hermite_poly_symb(), poly_3d_term_struct_symb::ia, symb_matrix_element::ia, monomial_struct::ix, monomial_struct::iy, monomial_struct::iz, monomial_info_struct::monomial_index_list, monomial_info_struct::monomial_list, poly_3d_term_struct_symb::monomialInts, monomial_info_struct::no_of_monomials_list, poly_3d_struct_symb::noOfTerms, and poly_3d_struct_symb::termList.
Referenced by get_hermite_conversion_matrix(), and hermite_conversion_info_struct::init().